UCSF

ZINC34617171

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.41 14.42 -13.32 0 5 0 68 409.489 7
Lo Low (pH 4.5-6) 5.41 14.66 -33.49 1 5 1 69 410.497 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )